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25B-NBOH hydrochloride

CAT: 0931-T204858-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T204858-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1539266-16-4
Target
5-HT Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Bioactivity
25B-NBOH hydrochloride is a phenethylamine that exhibits high affinity for serotonin (5-HT) receptors 5-HT2A and 5-HT2C, with pKi values of 8.3 and 9.4, respectively.
Smiles
Cl.BrC=1C=C(OC)C(=CC1OC)CCNCC=2C=CC=CC2O
Molecular Formula
C17H21BrClNO3
Molecular Weight
402.711
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

25B-NBOH (hydrochloride)
CAS Number1539266-16-4
PubChem CID137699640
IUPAC Name2-[[2-(4-bromo-2,5-dimethoxyphenyl)ethylamino]methyl]phenol;hydrochloride
Molecular FormulaC17H21BrClNO3
Molecular Weight402.7
Topological Polar Surface Area50.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count23
Formal Charge0
Complexity318
SMILES
COC1=CC(=C(C=C1CCNCC2=CC=CC=C2O)OC)Br.Cl
InChI
InChI=1S/C17H20BrNO3.ClH/c1-21-16-10-14(18)17(22-2)9-12(16)7-8-19-11-13-5-3-4-6-15(13)20;/h3-6,9-10,19-20H,7-8,11H2,1-2H3;1H
InChIKey
POIOFOVTMBOTDN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 25B-NBOH (hydrochloride)
CAS: 1539266-16-4
CID: 137699640
Formula: C17H21BrClNO3
MW: 402.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass401.03933
Monoisotopic Mass401.03933
Topological Polar Surface Area50.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity318
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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